1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol

C16H22F3N3O — CID 157038983

IUPAC1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(c3ccncc3C(F)(F)F)C2)CC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-9-20-5-1-15(14)22-8-2-12(11-22)10-21-6-3-13(23)4-7-21/h1,5,9,12-13,23H,2-4,6-8,10-11H2
InChIKeyBAAVTRFDVKYNEX-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.38
Rot. Bonds3

About 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol

1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol (PubChem CID 157038983) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol
PubChem CID157038983
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(c3ccncc3C(F)(F)F)C2)CC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-9-20-5-1-15(14)22-8-2-12(11-22)10-21-6-3-13(23)4-7-21/h1,5,9,12-13,23H,2-4,6-8,10-11H2
InChIKeyBAAVTRFDVKYNEX-UHFFFAOYSA-N
XLogP2.38
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-1-[[(3S)-1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 166834402
4-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]pyrrolidin-1-yl]pyridine
CID 175865982
2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
CID 157039820
2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286680
1-[[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039208
1-[[(3R)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039268
1-[[(3S)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039204
3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 175211299
1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
CID 86593827
(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104892823
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 165109184

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol (CID 157038983) is 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol is OC1CCN(CC2CCN(c3ccncc3C(F)(F)F)C2)CC1.
What is the InChIKey of 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is BAAVTRFDVKYNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-9-20-5-1-15(14)22-8-2-12(11-22)10-21-6-3-13(23)4-7-21/h1,5,9,12-13,23H,2-4,6-8,10-11H2.
What are the key properties of 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 329.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157038983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).